Information of group property and connectivity in molecules was contained in the model,and 16 group bonds were used as input parameters of neural networks to study the correlation of molecular structures with flash points of 44 alkanes.

• 该模型既考虑了分子中基团的特性,又考虑了基团之间的连接性(化学键)。 以16种烷烃基团键作为神经网络的输入参数,研究了44种烷烃的闪点与分子结构之间的相关性。